2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile

C23H28N4OSSi — CID 175692331

IUPAC2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCc1cc(-c2nc(-c3ccc(N)c(C#N)c3)cs2)cc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C23H28N4OSSi/c1-15-9-17(11-19(26-15)13-28-30(5,6)23(2,3)4)22-27-21(14-29-22)16-7-8-20(25)18(10-16)12-24/h7-11,14H,13,25H2,1-6H3
InChIKeyJHAULPWDXIYISV-UHFFFAOYSA-N
MW436.66 g/mol
LogP6.16
Rot. Bonds5

About 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile

2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile (PubChem CID 175692331) has the molecular formula C23H28N4OSSi and a molecular weight of 436.66 g/mol. Its IUPAC name is 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
PubChem CID175692331
Molecular FormulaC23H28N4OSSi
Molecular Weight436.66 g/mol
Exact Mass436.18
IUPAC Name2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile
SMILESCc1cc(-c2nc(-c3ccc(N)c(C#N)c3)cs2)cc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C23H28N4OSSi/c1-15-9-17(11-19(26-15)13-28-30(5,6)23(2,3)4)22-27-21(14-29-22)16-7-8-20(25)18(10-16)12-24/h7-11,14H,13,25H2,1-6H3
InChIKeyJHAULPWDXIYISV-UHFFFAOYSA-N
XLogP6.16
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.66
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
2-amino-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 113323900
2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
CID 107504553
5-[2-[2-(2-methylpropyl)-4-pyridinyl]-1,3-thiazol-4-yl]-2-(trifluoromethylsulfanylamino)benzonitrile
CID 134549745
2-amino-4-methyl-5-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]benzonitrile
CID 90322282
2-amino-5-thiophen-3-ylbenzonitrile
CID 23434182
4-[2-(4-aminophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 43667845
2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584
2-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152333
tert-butyl-[(2-iodo-1,3-thiazol-4-yl)methoxy]-dimethylsilane
CID 53416358

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile (CID 175692331) is 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile is Cc1cc(-c2nc(-c3ccc(N)c(C#N)c3)cs2)cc(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is JHAULPWDXIYISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OSSi/c1-15-9-17(11-19(26-15)13-28-30(5,6)23(2,3)4)22-27-21(14-29-22)16-7-8-20(25)18(10-16)12-24/h7-11,14H,13,25H2,1-6H3.
What are the key properties of 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile?
2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 436.66 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-4-pyridinyl]-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 175692331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).